3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine

C92H129Cl2F8N9OS — CID 157070658

IUPAC3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
SMILESCC(C)(C)N1CCCC1c1ccccn1.CC(C)(C)N1CCCC1c1cccs1.CC(C)(C)N1CCCC1c1cncc(F)c1.CC(C)N1CCCC1c1cc(F)cc(Cl)c1.CC(C)N1CCCC1c1cc(F)ccc1C(F)(F)F.CC(C)N1CCCC1c1cc(F)ccc1Cl.COc1ccc(F)cc1C1CCCN1C(C)C
InChIInChI=1S/C14H17F4N.C14H20FNO.2C13H17ClFN.C13H19FN2.C13H20N2.C12H19NS/c1-9(2)19-7-3-4-13(19)11-8-10(15)5-6-12(11)14(16,17)18;1-10(2)16-8-4-5-13(16)12-9-11(15)6-7-14(12)17-3;1-9(2)16-7-3-4-13(16)11-8-10(15)5-6-12(11)14;1-9(2)16-5-3-4-13(16)10-6-11(14)8-12(15)7-10;1-13(2,3)16-6-4-5-12(16)10-7-11(14)9-15-8-10;1-13(2,3)15-10-6-8-12(15)11-7-4-5-9-14-11;1-12(2,3)13-8-4-6-10(13)11-7-5-9-14-11/h5-6,8-9,13H,3-4,7H2,1-2H3;6-7,9-10,13H,4-5,8H2,1-3H3;5-6,8-9,13H,3-4,7H2,1-2H3;6-9,13H,3-5H2,1-2H3;7-9,12H,4-6H2,1-3H3;4-5,7,9,12H,6,8,10H2,1-3H3;5,7,9-10H,4,6,8H2,1-3H3
InChIKeyACJUPGRUYVIOBZ-UHFFFAOYSA-N
MW1632.06 g/mol
LogP25.67
Rot. Bonds12

About 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine

3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine (PubChem CID 157070658) has the molecular formula C92H129Cl2F8N9OS and a molecular weight of 1632.06 g/mol. Its IUPAC name is 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
PubChem CID157070658
Molecular FormulaC92H129Cl2F8N9OS
Molecular Weight1632.06 g/mol
Exact Mass1629.93
IUPAC Name3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
SMILESCC(C)(C)N1CCCC1c1ccccn1.CC(C)(C)N1CCCC1c1cccs1.CC(C)(C)N1CCCC1c1cncc(F)c1.CC(C)N1CCCC1c1cc(F)cc(Cl)c1.CC(C)N1CCCC1c1cc(F)ccc1C(F)(F)F.CC(C)N1CCCC1c1cc(F)ccc1Cl.COc1ccc(F)cc1C1CCCN1C(C)C
InChIInChI=1S/C14H17F4N.C14H20FNO.2C13H17ClFN.C13H19FN2.C13H20N2.C12H19NS/c1-9(2)19-7-3-4-13(19)11-8-10(15)5-6-12(11)14(16,17)18;1-10(2)16-8-4-5-13(16)12-9-11(15)6-7-14(12)17-3;1-9(2)16-7-3-4-13(16)11-8-10(15)5-6-12(11)14;1-9(2)16-5-3-4-13(16)10-6-11(14)8-12(15)7-10;1-13(2,3)16-6-4-5-12(16)10-7-11(14)9-15-8-10;1-13(2,3)15-10-6-8-12(15)11-7-4-5-9-14-11;1-12(2,3)13-8-4-6-10(13)11-7-5-9-14-11/h5-6,8-9,13H,3-4,7H2,1-2H3;6-7,9-10,13H,4-5,8H2,1-3H3;5-6,8-9,13H,3-4,7H2,1-2H3;6-9,13H,3-5H2,1-2H3;7-9,12H,4-6H2,1-3H3;4-5,7,9,12H,6,8,10H2,1-3H3;5,7,9-10H,4,6,8H2,1-3H3
InChIKeyACJUPGRUYVIOBZ-UHFFFAOYSA-N
XLogP25.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001632.06
LogP ≤ 525.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine with MolForge

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Related Compounds

3-(1-Tert-butylpyrrolidin-2-yl)-5-fluoropyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine
CID 159806655
3-(1-Tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine
CID 159934631
3-(1-Tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-(3-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine;methane
CID 161228943
2-(2-Chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)pyridine;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine
CID 157995104
3-(1-Tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-[2-(difluoromethyl)-5-fluorophenyl]-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 159697973
3-(1-Tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 160579310

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine (CID 157070658) is 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine is CC(C)(C)N1CCCC1c1ccccn1.CC(C)(C)N1CCCC1c1cccs1.CC(C)(C)N1CCCC1c1cncc(F)c1.CC(C)N1CCCC1c1cc(F)cc(Cl)c1.CC(C)N1CCCC1c1cc(F)ccc1C(F)(F)F.CC(C)N1CCCC1c1cc(F)ccc1Cl.COc1ccc(F)cc1C1CCCN1C(C)C.
What is the InChIKey of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine?
The InChIKey is ACJUPGRUYVIOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N.C14H20FNO.2C13H17ClFN.C13H19FN2.C13H20N2.C12H19NS/c1-9(2)19-7-3-4-13(19)11-8-10(15)5-6-12(11)14(16,17)18;1-10(2)16-8-4-5-13(16)12-9-11(15)6-7-14(12)17-3;1-9(2)16-7-3-4-13(16)11-8-10(15)5-6-12(11)14;1-9(2)16-5-3-4-13(16)10-6-11(14)8-12(15)7-10;1-13(2,3)16-6-4-5-12(16)10-7-11(14)9-15-8-10;1-13(2,3)15-10-6-8-12(15)11-7-4-5-9-14-11;1-12(2,3)13-8-4-6-10(13)11-7-5-9-14-11/h5-6,8-9,13H,3-4,7H2,1-2H3;6-7,9-10,13H,4-5,8H2,1-3H3;5-6,8-9,13H,3-4,7H2,1-2H3;6-9,13H,3-5H2,1-2H3;7-9,12H,4-6H2,1-3H3;4-5,7,9,12H,6,8,10H2,1-3H3;5,7,9-10H,4,6,8H2,1-3H3.
What are the key properties of 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine?
3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine has a molecular weight of 1632.06 g/mol, XLogP of 25.67, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpyrrolidin-2-yl)-5-fluoropyridine;2-(1-tert-butylpyrrolidin-2-yl)pyridine;1-tert-butyl-2-thiophen-2-ylpyrrolidine;2-(2-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(3-chloro-5-fluorophenyl)-1-propan-2-ylpyrrolidine;2-(5-fluoro-2-methoxyphenyl)-1-propan-2-ylpyrrolidine;2-[5-fluoro-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 157070658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).